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PubMed code 18714982

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24949
PNG
(3-(2-hydroxyethyl)-20-(propan-2-yloxy)-3,13-diazah...)
Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C27H26N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13,15,30H,7,9,11-12,14H2,1-2H3,(H,28,31)
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n/an/a 26n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24942
PNG
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)
Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1
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n/an/a 38n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24952
PNG
(20-(cyclopentyloxy)-3-(2-hydroxyethyl)-3,13-diazah...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OC5CCCC5)ccc-34)c12
Show InChI InChI=1S/C29H28N2O3/c32-14-13-31-24-8-4-3-7-21(24)26-23-16-30-29(33)27(23)25-20-12-10-19(34-18-5-1-2-6-18)15-17(20)9-11-22(25)28(26)31/h3-4,7-8,10,12,15,18,32H,1-2,5-6,9,11,13-14,16H2,(H,30,33)
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n/an/a 49n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24947
PNG
(3-(2-hydroxyethyl)-20-methoxy-3,13-diazahexacyclo[...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C25H22N2O3/c1-30-15-7-9-16-14(12-15)6-8-18-21(16)23-19(13-26-25(23)29)22-17-4-2-3-5-20(17)27(10-11-28)24(18)22/h2-5,7,9,12,28H,6,8,10-11,13H2,1H3,(H,26,29)
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n/an/a 55n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24942
PNG
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)
Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1
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n/an/a 64n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24949
PNG
(3-(2-hydroxyethyl)-20-(propan-2-yloxy)-3,13-diazah...)
Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C27H26N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13,15,30H,7,9,11-12,14H2,1-2H3,(H,28,31)
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n/an/a 65n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24944
PNG
(20-(propan-2-yloxy)-3,13-diazahexacyclo[14.8.0.0^{...)
Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1
Show InChI InChI=1S/C25H22N2O2/c1-13(2)29-15-8-10-16-14(11-15)7-9-18-21(16)23-19(12-26-25(23)28)22-17-5-3-4-6-20(17)27-24(18)22/h3-6,8,10-11,13,27H,7,9,12H2,1-2H3,(H,26,28)
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n/an/a 66n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24948
PNG
(3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCCO)c32)c1
Show InChI InChI=1S/C26H24N2O3/c1-31-16-8-10-17-15(13-16)7-9-19-22(17)24-20(14-27-26(24)30)23-18-5-2-3-6-21(18)28(25(19)23)11-4-12-29/h2-3,5-6,8,10,13,29H,4,7,9,11-12,14H2,1H3,(H,27,30)
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n/an/a 87n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24948
PNG
(3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCCO)c32)c1
Show InChI InChI=1S/C26H24N2O3/c1-31-16-8-10-17-15(13-16)7-9-19-22(17)24-20(14-27-26(24)30)23-18-5-2-3-6-21(18)28(25(19)23)11-4-12-29/h2-3,5-6,8,10,13,29H,4,7,9,11-12,14H2,1H3,(H,27,30)
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n/an/a 101n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24947
PNG
(3-(2-hydroxyethyl)-20-methoxy-3,13-diazahexacyclo[...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C25H22N2O3/c1-30-15-7-9-16-14(12-15)6-8-18-21(16)23-19(13-26-25(23)29)22-17-4-2-3-5-20(17)27(10-11-28)24(18)22/h2-5,7,9,12,28H,6,8,10-11,13H2,1H3,(H,26,29)
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n/an/a 103n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24944
PNG
(20-(propan-2-yloxy)-3,13-diazahexacyclo[14.8.0.0^{...)
Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1
Show InChI InChI=1S/C25H22N2O2/c1-13(2)29-15-8-10-16-14(11-15)7-9-18-21(16)23-19(12-26-25(23)28)22-17-5-3-4-6-20(17)27-24(18)22/h3-6,8,10-11,13,27H,7,9,12H2,1-2H3,(H,26,28)
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n/an/a 159n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24943
PNG
(20-methoxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1
Show InChI InChI=1S/C23H18N2O2/c1-27-13-7-9-14-12(10-13)6-8-16-19(14)21-17(11-24-23(21)26)20-15-4-2-3-5-18(15)25-22(16)20/h2-5,7,9-10,25H,6,8,11H2,1H3,(H,24,26)
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n/an/a 188n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24943
PNG
(20-methoxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1
Show InChI InChI=1S/C23H18N2O2/c1-27-13-7-9-14-12(10-13)6-8-16-19(14)21-17(11-24-23(21)26)20-15-4-2-3-5-18(15)25-22(16)20/h2-5,7,9-10,25H,6,8,11H2,1H3,(H,24,26)
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n/an/a 274n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM14178
PNG
(12,13-dihydro-6H,7H,14H-naphthyl-[3,4-a]pyrrolo[3,...)
Show SMILES O=C1NCc2c1c-1c(CCc3ccccc-13)c1[nH]c3ccccc3c21
Show InChI InChI=1S/C22H16N2O/c25-22-20-16(11-23-22)19-14-7-3-4-8-17(14)24-21(19)15-10-9-12-5-1-2-6-13(12)18(15)20/h1-8,24H,9-11H2,(H,23,25)
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n/an/a 724n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24946
PNG
(3-(2-hydroxyethyl)-3,13-diazahexacyclo[14.8.0.0^{2...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccccc4CCc3c12
Show InChI InChI=1S/C24H20N2O2/c27-12-11-26-19-8-4-3-7-16(19)21-18-13-25-24(28)22(18)20-15-6-2-1-5-14(15)9-10-17(20)23(21)26/h1-8,27H,9-13H2,(H,25,28)
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n/an/a 1.00E+3n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM24949
PNG
(3-(2-hydroxyethyl)-20-(propan-2-yloxy)-3,13-diazah...)
Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C27H26N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13,15,30H,7,9,11-12,14H2,1-2H3,(H,28,31)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Cephalon



Assay Description
Compounds were evaluated for their ability to inhibit the kinase activity of TrkA using an ELISA-based assay. The 96-well microtiter plate is coated ...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14178
PNG
(12,13-dihydro-6H,7H,14H-naphthyl-[3,4-a]pyrrolo[3,...)
Show SMILES O=C1NCc2c1c-1c(CCc3ccccc-13)c1[nH]c3ccccc3c21
Show InChI InChI=1S/C22H16N2O/c25-22-20-16(11-23-22)19-14-7-3-4-8-17(14)24-21(19)15-10-9-12-5-1-2-6-13(12)18(15)20/h1-8,24H,9-11H2,(H,23,25)
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n/an/a 1.11E+3n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM24947
PNG
(3-(2-hydroxyethyl)-20-methoxy-3,13-diazahexacyclo[...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C25H22N2O3/c1-30-15-7-9-16-14(12-15)6-8-18-21(16)23-19(13-26-25(23)29)22-17-4-2-3-5-20(17)27(10-11-28)24(18)22/h2-5,7,9,12,28H,6,8,10-11,13H2,1H3,(H,26,29)
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n/an/a 1.27E+3n/an/an/an/an/an/a



Cephalon



Assay Description
Compounds were evaluated for their ability to inhibit the kinase activity of TrkA using an ELISA-based assay. The 96-well microtiter plate is coated ...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 2 (MLK2)


(Homo sapiens)
BDBM24947
PNG
(3-(2-hydroxyethyl)-20-methoxy-3,13-diazahexacyclo[...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C25H22N2O3/c1-30-15-7-9-16-14(12-15)6-8-18-21(16)23-19(13-26-25(23)29)22-17-4-2-3-5-20(17)27(10-11-28)24(18)22/h2-5,7,9,12,28H,6,8,10-11,13H2,1H3,(H,26,29)
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n/an/a 1.58E+3n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 2 (MLK2)


(Homo sapiens)
BDBM24949
PNG
(3-(2-hydroxyethyl)-20-(propan-2-yloxy)-3,13-diazah...)
Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C27H26N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13,15,30H,7,9,11-12,14H2,1-2H3,(H,28,31)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM24949
PNG
(3-(2-hydroxyethyl)-20-(propan-2-yloxy)-3,13-diazah...)
Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C27H26N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13,15,30H,7,9,11-12,14H2,1-2H3,(H,28,31)
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n/an/a 3.38E+3n/an/an/an/an/an/a



Cephalon



Assay Description
Compounds were evaluated for their ability to inhibit the kinase activity using an ELISA-based assay. The 96-well microtiter plate is coated with sub...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM24947
PNG
(3-(2-hydroxyethyl)-20-methoxy-3,13-diazahexacyclo[...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C25H22N2O3/c1-30-15-7-9-16-14(12-15)6-8-18-21(16)23-19(13-26-25(23)29)22-17-4-2-3-5-20(17)27(10-11-28)24(18)22/h2-5,7,9,12,28H,6,8,10-11,13H2,1H3,(H,26,29)
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n/an/a 4.72E+3n/an/an/an/an/an/a



Cephalon



Assay Description
Compounds were evaluated for their ability to inhibit the kinase activity using an ELISA-based assay. The 96-well microtiter plate is coated with sub...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24950
PNG
(20-hydroxy-3-(2-hydroxyethyl)-3,13-diazahexacyclo[...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccc(O)cc4CCc3c12
Show InChI InChI=1S/C24H20N2O3/c27-10-9-26-19-4-2-1-3-16(19)21-18-12-25-24(29)22(18)20-15-8-6-14(28)11-13(15)5-7-17(20)23(21)26/h1-4,6,8,11,27-28H,5,7,9-10,12H2,(H,25,29)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24952
PNG
(20-(cyclopentyloxy)-3-(2-hydroxyethyl)-3,13-diazah...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OC5CCCC5)ccc-34)c12
Show InChI InChI=1S/C29H28N2O3/c32-14-13-31-24-8-4-3-7-21(24)26-23-16-30-29(33)27(23)25-20-12-10-19(34-18-5-1-2-6-18)15-17(20)9-11-22(25)28(26)31/h3-4,7-8,10,12,15,18,32H,1-2,5-6,9,11,13-14,16H2,(H,30,33)
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n/an/an/an/an/an/an/an/an/a



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24946
PNG
(3-(2-hydroxyethyl)-3,13-diazahexacyclo[14.8.0.0^{2...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccccc4CCc3c12
Show InChI InChI=1S/C24H20N2O2/c27-12-11-26-19-8-4-3-7-16(19)21-18-13-25-24(28)22(18)20-15-6-2-1-5-14(15)9-10-17(20)23(21)26/h1-8,27H,9-13H2,(H,25,28)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24959
PNG
(4-{[3-(2-hydroxyethyl)-14-oxo-3,13-diazahexacyclo[...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCCCC#N)ccc-34)c12
Show InChI InChI=1S/C28H25N3O3/c29-11-3-4-14-34-18-8-10-19-17(15-18)7-9-21-24(19)26-22(16-30-28(26)33)25-20-5-1-2-6-23(20)31(12-13-32)27(21)25/h1-2,5-6,8,10,15,32H,3-4,7,9,12-14,16H2,(H,30,33)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24951
PNG
(20-(cyclopropylmethoxy)-3-(2-hydroxyethyl)-3,13-di...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCC5CC5)ccc-34)c12
Show InChI InChI=1S/C28H26N2O3/c31-12-11-30-23-4-2-1-3-20(23)25-22-14-29-28(32)26(22)24-19-10-8-18(33-15-16-5-6-16)13-17(19)7-9-21(24)27(25)30/h1-4,8,10,13,16,31H,5-7,9,11-12,14-15H2,(H,29,32)
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n/an/an/an/an/an/an/an/an/a



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24950
PNG
(20-hydroxy-3-(2-hydroxyethyl)-3,13-diazahexacyclo[...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccc(O)cc4CCc3c12
Show InChI InChI=1S/C24H20N2O3/c27-10-9-26-19-4-2-1-3-16(19)21-18-12-25-24(29)22(18)20-15-8-6-14(28)11-13(15)5-7-17(20)23(21)26/h1-4,6,8,11,27-28H,5,7,9-10,12H2,(H,25,29)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24953
PNG
(20-(cyclohexyloxy)-3-(2-hydroxyethyl)-3,13-diazahe...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OC5CCCCC5)ccc-34)c12
Show InChI InChI=1S/C30H30N2O3/c33-15-14-32-25-9-5-4-8-22(25)27-24-17-31-30(34)28(24)26-21-13-11-20(35-19-6-2-1-3-7-19)16-18(21)10-12-23(26)29(27)32/h4-5,8-9,11,13,16,19,33H,1-3,6-7,10,12,14-15,17H2,(H,31,34)
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n/an/an/an/an/an/an/an/an/a



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24954
PNG
(3-(2-hydroxyethyl)-20-(pyridin-2-ylmethoxy)-3,13-d...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCc5ccccn5)ccc-34)c12
Show InChI InChI=1S/C30H25N3O3/c34-14-13-33-25-7-2-1-6-22(25)27-24-16-32-30(35)28(24)26-21-11-9-20(36-17-19-5-3-4-12-31-19)15-18(21)8-10-23(26)29(27)33/h1-7,9,11-12,15,34H,8,10,13-14,16-17H2,(H,32,35)
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n/an/an/an/an/an/an/an/an/a



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24955
PNG
(3-(2-hydroxyethyl)-20-(2-methoxyethoxy)-3,13-diaza...)
Show SMILES COCCOc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C27H26N2O4/c1-32-12-13-33-17-7-9-18-16(14-17)6-8-20-23(18)25-21(15-28-27(25)31)24-19-4-2-3-5-22(19)29(10-11-30)26(20)24/h2-5,7,9,14,30H,6,8,10-13,15H2,1H3,(H,28,31)
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n/an/an/an/an/an/an/an/an/a



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24958
PNG
(2-{[3-(2-hydroxyethyl)-14-oxo-3,13-diazahexacyclo[...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCC#N)ccc-34)c12
Show InChI InChI=1S/C26H21N3O3/c27-9-12-32-16-6-8-17-15(13-16)5-7-19-22(17)24-20(14-28-26(24)31)23-18-3-1-2-4-21(18)29(10-11-30)25(19)23/h1-4,6,8,13,30H,5,7,10-12,14H2,(H,28,31)
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n/an/an/an/an/an/an/an/an/a



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24959
PNG
(4-{[3-(2-hydroxyethyl)-14-oxo-3,13-diazahexacyclo[...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCCCC#N)ccc-34)c12
Show InChI InChI=1S/C28H25N3O3/c29-11-3-4-14-34-18-8-10-19-17(15-18)7-9-21-24(19)26-22(16-30-28(26)33)25-20-5-1-2-6-23(20)31(12-13-32)27(21)25/h1-2,5-6,8,10,15,32H,3-4,7,9,12-14,16H2,(H,30,33)
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n/an/an/an/an/an/an/an/an/a



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24954
PNG
(3-(2-hydroxyethyl)-20-(pyridin-2-ylmethoxy)-3,13-d...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCc5ccccn5)ccc-34)c12
Show InChI InChI=1S/C30H25N3O3/c34-14-13-33-25-7-2-1-6-22(25)27-24-16-32-30(35)28(24)26-21-11-9-20(36-17-19-5-3-4-12-31-19)15-18(21)8-10-23(26)29(27)33/h1-7,9,11-12,15,34H,8,10,13-14,16-17H2,(H,32,35)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24955
PNG
(3-(2-hydroxyethyl)-20-(2-methoxyethoxy)-3,13-diaza...)
Show SMILES COCCOc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C27H26N2O4/c1-32-12-13-33-17-7-9-18-16(14-17)6-8-20-23(18)25-21(15-28-27(25)31)24-19-4-2-3-5-22(19)29(10-11-30)26(20)24/h2-5,7,9,14,30H,6,8,10-13,15H2,1H3,(H,28,31)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24945
PNG
(20-hydroxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{...)
Show SMILES Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c3[nH]c3ccccc23)c1
Show InChI InChI=1S/C22H16N2O2/c25-12-6-8-13-11(9-12)5-7-15-18(13)20-16(10-23-22(20)26)19-14-3-1-2-4-17(14)24-21(15)19/h1-4,6,8-9,24-25H,5,7,10H2,(H,23,26)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24951
PNG
(20-(cyclopropylmethoxy)-3-(2-hydroxyethyl)-3,13-di...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCC5CC5)ccc-34)c12
Show InChI InChI=1S/C28H26N2O3/c31-12-11-30-23-4-2-1-3-20(23)25-22-14-29-28(32)26(22)24-19-10-8-18(33-15-16-5-6-16)13-17(19)7-9-21(24)27(25)30/h1-4,8,10,13,16,31H,5-7,9,11-12,14-15H2,(H,29,32)
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PubMed
n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24957
PNG
(20-(2-hydroxyethoxy)-3-(2-hydroxyethyl)-3,13-diaza...)
Show SMILES OCCOc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C26H24N2O4/c29-10-9-28-21-4-2-1-3-18(21)23-20-14-27-26(31)24(20)22-17-8-6-16(32-12-11-30)13-15(17)5-7-19(22)25(23)28/h1-4,6,8,13,29-30H,5,7,9-12,14H2,(H,27,31)
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n/an/an/an/an/an/an/an/an/a



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24956
PNG
(20-[2-(benzyloxy)ethoxy]-3-(2-hydroxyethyl)-3,13-d...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCCOCc5ccccc5)ccc-34)c12
Show InChI InChI=1S/C33H30N2O4/c36-15-14-35-28-9-5-4-8-25(28)30-27-19-34-33(37)31(27)29-24-13-11-23(18-22(24)10-12-26(29)32(30)35)39-17-16-38-20-21-6-2-1-3-7-21/h1-9,11,13,18,36H,10,12,14-17,19-20H2,(H,34,37)
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n/an/an/an/an/an/an/an/an/a



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24958
PNG
(2-{[3-(2-hydroxyethyl)-14-oxo-3,13-diazahexacyclo[...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCC#N)ccc-34)c12
Show InChI InChI=1S/C26H21N3O3/c27-9-12-32-16-6-8-17-15(13-16)5-7-19-22(17)24-20(14-28-26(24)31)23-18-3-1-2-4-21(18)29(10-11-30)25(19)23/h1-4,6,8,13,30H,5,7,10-12,14H2,(H,28,31)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24957
PNG
(20-(2-hydroxyethoxy)-3-(2-hydroxyethyl)-3,13-diaza...)
Show SMILES OCCOc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C26H24N2O4/c29-10-9-28-21-4-2-1-3-18(21)23-20-14-27-26(31)24(20)22-17-8-6-16(32-12-11-30)13-15(17)5-7-19(22)25(23)28/h1-4,6,8,13,29-30H,5,7,9-12,14H2,(H,27,31)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24945
PNG
(20-hydroxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{...)
Show SMILES Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c3[nH]c3ccccc23)c1
Show InChI InChI=1S/C22H16N2O2/c25-12-6-8-13-11(9-12)5-7-15-18(13)20-16(10-23-22(20)26)19-14-3-1-2-4-17(14)24-21(15)19/h1-4,6,8-9,24-25H,5,7,10H2,(H,23,26)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24953
PNG
(20-(cyclohexyloxy)-3-(2-hydroxyethyl)-3,13-diazahe...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OC5CCCCC5)ccc-34)c12
Show InChI InChI=1S/C30H30N2O3/c33-15-14-32-25-9-5-4-8-22(25)27-24-17-31-30(34)28(24)26-21-13-11-20(35-19-6-2-1-3-7-19)16-18(21)10-12-23(26)29(27)32/h4-5,8-9,11,13,16,19,33H,1-3,6-7,10,12,14-15,17H2,(H,31,34)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24956
PNG
(20-[2-(benzyloxy)ethoxy]-3-(2-hydroxyethyl)-3,13-d...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCCOCc5ccccc5)ccc-34)c12
Show InChI InChI=1S/C33H30N2O4/c36-15-14-35-28-9-5-4-8-25(28)30-27-19-34-33(37)31(27)29-24-13-11-23(18-22(24)10-12-26(29)32(30)35)39-17-16-38-20-21-6-2-1-3-7-21/h1-9,11,13,18,36H,10,12,14-17,19-20H2,(H,34,37)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%